%chk=000136802.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136802

0 1
 S    5.492900     -3.0099999E-02  8.7899998E-02
 N    1.389000      1.3500000E-02  0.1821000    
 C   0.4174000      1.1500000E-02 -0.9129000    
 C  -0.9911000      3.8000001E-03 -0.4225000    
 C    2.747300      1.0700000E-02 -0.3366000    
 C    3.803600      1.6000001E-02  0.7600000    
 C   -1.644000      -1.207900     -0.1955000    
 C   -1.655600       1.208200     -0.1902000    
 C   -2.961200      -1.215300      0.2633000    
 C   -2.972700       1.200700      0.2688000    
 C   -3.625500     -1.1100000E-02  0.4956000    
 H   0.5756000     -0.8659000      -1.553900    
 H   0.5694000      0.8875000      -1.557600    
 H    2.889300     -0.8813000     -0.9603000    
 H    2.895900      0.8883000     -0.9794000    
 H    1.250300      0.8415000      0.7614000    
 H    3.709400      0.9160000       1.377100    
 H    3.677900     -0.8518000       1.416400    
 H   -1.137300      -2.153300     -0.3707000    
 H   -1.157700       2.159100     -0.3610000    
 H   -3.469400      -2.158700      0.4404000    
 H   -3.490000       2.138200      0.4503000    
 H   -4.651000     -1.6799999E-02  0.8531000    
 H    5.382300      -1.216600     -0.5275000    


%chk=000136802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000136802

0 1
S 5.578094 -0.474039 0.255771
N 1.426116 0.049357 0.124821
C 0.428836 0.486759 -0.878158
C -1.000445 0.275969 -0.389138
C 2.834582 0.122925 -0.315751
C 3.739036 -0.585201 0.706459
C -1.347080 -0.883310 0.351133
C -2.010763 1.222698 -0.691104
C -2.678586 -1.093102 0.773234
C -3.345465 1.012199 -0.274161
C -3.683868 -0.147648 0.460163
H 0.600973 -0.120322 -1.791660
H 0.555045 1.553907 -1.187332
H 2.910929 -0.394235 -1.293072
H 3.206483 1.163963 -0.474184
H 1.277713 0.517626 1.029572
H 3.680802 -0.100996 1.697204
H 3.452898 -1.642649 0.817939
H -0.558781 -1.604232 0.592982
H -1.752851 2.128930 -1.253958
H -2.933656 -1.993174 1.344656
H -4.116102 1.753208 -0.515627
H -4.716853 -0.310860 0.787720
H 5.497743 -1.251575 -0.889209


